SCHEMBL26568503

SCHEMBL26568503

CC1CCC(F)c2cccnc21

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
HTR2B P41595 1/20 0.33
HTR1A P08908 7/20 0.32
SLC6A2 P23975 7/20 0.32
SLC6A4 P31645 7/20 0.32
PDK2 Q15119 1/20 0.31
SLC6A3 Q01959 3/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL26571811 1.00 HTR2A (0.33) HTR2AHTR2CHTR2BHTR1ASLC6A2
SCHEMBL6177530 0.85 HTR2A (0.36) HTR2AHTR2CHTR2BHTR1ASLC6A2
SCHEMBL26572508 0.79 OPRL1 (0.31)
SCHEMBL26569513 0.79 P2RX7 (0.45)
SCHEMBL22854653 0.79 P2RX7 (0.45)
SCHEMBL26568819 0.79 P2RX7 (0.45)
SCHEMBL26568676 0.79 P2RX7 (0.45)
SCHEMBL26567574 0.78 P2RX7 (0.35) HTR1ASLC6A2SLC6A4SLC6A3
SCHEMBL12206928 0.76 HTR2A (0.31) HTR2AHTR2CHTR2B
SCHEMBL828712 0.76 HTR2A (0.31) HTR2AHTR2CHTR2B

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3609868-B1 TETRAHYDROQUINOLINE DERIVATIVES AS P2X7 RECEPTOR ANTAGONISTS RAQUALIA PHARMA INC (JP) 2023-10-18 EP disclosed